SpectraBase Compound ID | GgRbrlLvHn1 |
---|---|
InChI | InChI=1S/C14H23NO/c1-2-3-4-5-8-12-16-13-10-14-9-6-7-11-15-14/h6-7,9,11H,2-5,8,10,12-13H2,1H3 |
InChIKey | PPDARWHEVVDZAB-UHFFFAOYSA-N |
Mol Weight | 221.34 g/mol |
Molecular Formula | C14H23NO |
Exact Mass | 221.177964 g/mol |
SpectraBase Spectrum ID | BPt2nnz6C2B |
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Name | 2-(2-Heptoxyethyl)pyridine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 221.177964364 u |
Formula | C14H23NO |
InChI | InChI=1S/C14H23NO/c1-2-3-4-5-8-12-16-13-10-14-9-6-7-11-15-14/h6-7,9,11H,2-5,8,10,12-13H2,1H3 |
InChIKey | PPDARWHEVVDZAB-UHFFFAOYSA-N |
Molecular Weight | 221.344 g/mol |
SMILES | C=1(C=CC=CN1)CCOCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874716 |